1-(4-pyridin-2-ylpiperazin-1-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone

C19H18F3N7O — CID 8681669

IUPAC1-(4-pyridin-2-ylpiperazin-1-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
SMILESO=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H18F3N7O/c20-19(21,22)15-5-3-4-14(12-15)18-24-26-29(25-18)13-17(30)28-10-8-27(9-11-28)16-6-1-2-7-23-16/h1-7,12H,8-11,13H2
InChIKeyBTIPZVOKTBGLLC-UHFFFAOYSA-N
MW417.40 g/mol
LogP2.10
Rot. Bonds4

About 1-(4-pyridin-2-ylpiperazin-1-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone

1-(4-pyridin-2-ylpiperazin-1-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone (PubChem CID 8681669) has the molecular formula C19H18F3N7O and a molecular weight of 417.40 g/mol. Its IUPAC name is 1-(4-pyridin-2-ylpiperazin-1-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-(4-pyridin-2-ylpiperazin-1-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
PubChem CID8681669
Molecular FormulaC19H18F3N7O
Molecular Weight417.40 g/mol
Exact Mass417.15
IUPAC Name1-(4-pyridin-2-ylpiperazin-1-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
SMILESO=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H18F3N7O/c20-19(21,22)15-5-3-4-14(12-15)18-24-26-29(25-18)13-17(30)28-10-8-27(9-11-28)16-6-1-2-7-23-16/h1-7,12H,8-11,13H2
InChIKeyBTIPZVOKTBGLLC-UHFFFAOYSA-N
XLogP2.10
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.40
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
CID 26675509
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
CID 7419858
1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 10343628
N,N-dimethyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 8868431
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
N-(2-chloro-3-pyridinyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 7844984
1-(4-tert-butylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
CID 7844990
(4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 15950861
1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 110452554
2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide
CID 8681717
2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 4288228
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethanone
CID 17494005

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-2-ylpiperazin-1-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone?
The IUPAC name of 1-(4-pyridin-2-ylpiperazin-1-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone (CID 8681669) is 1-(4-pyridin-2-ylpiperazin-1-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-(4-pyridin-2-ylpiperazin-1-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone?
The canonical SMILES for 1-(4-pyridin-2-ylpiperazin-1-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone is O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(4-pyridin-2-ylpiperazin-1-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone?
The InChIKey is BTIPZVOKTBGLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7O/c20-19(21,22)15-5-3-4-14(12-15)18-24-26-29(25-18)13-17(30)28-10-8-27(9-11-28)16-6-1-2-7-23-16/h1-7,12H,8-11,13H2.
What are the key properties of 1-(4-pyridin-2-ylpiperazin-1-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone?
1-(4-pyridin-2-ylpiperazin-1-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone has a molecular weight of 417.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-2-ylpiperazin-1-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone is sourced from PubChem (CID 8681669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).